6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

C21H26N4O3S — CID 20861729

IUPAC6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)NCCCN4CCOCC4)sc3n2)cc1
InChIInChI=1S/C21H26N4O3S/c1-15-19(20(26)22-8-3-9-24-10-12-28-13-11-24)29-21-23-18(14-25(15)21)16-4-6-17(27-2)7-5-16/h4-7,14H,3,8-13H2,1-2H3,(H,22,26)
InChIKeyNJDFCYAORUJYNR-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.83
Rot. Bonds7

About 6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 20861729) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID20861729
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)NCCCN4CCOCC4)sc3n2)cc1
InChIInChI=1S/C21H26N4O3S/c1-15-19(20(26)22-8-3-9-24-10-12-28-13-11-24)29-21-23-18(14-25(15)21)16-4-6-17(27-2)7-5-16/h4-7,14H,3,8-13H2,1-2H3,(H,22,26)
InChIKeyNJDFCYAORUJYNR-UHFFFAOYSA-N
XLogP2.83
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 29044246
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CID 22578782
N-[(2,6-difluorophenyl)methyl]-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031608
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
CID 43045174
1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 20907014
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 6619638
N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39084732
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770
2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170481
N-(3-fluoro-4-methylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348922

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 20861729) is 6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccc(-c2cn3c(C)c(C(=O)NCCCN4CCOCC4)sc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is NJDFCYAORUJYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-15-19(20(26)22-8-3-9-24-10-12-28-13-11-24)29-21-23-18(14-25(15)21)16-4-6-17(27-2)7-5-16/h4-7,14H,3,8-13H2,1-2H3,(H,22,26).
What are the key properties of 6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 20861729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).